Aflatoxicol B
TL;DR: Aflatoxicol B (CAS 61740-00-9) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7R,16R)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one
Also Known As: Aflatoxicol B, Aflatoxin Ro', (1R)-Aflatoxicol, Aflatoxicol, unnatural, Aflatoxin Ro
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 61740-00-9 |
|---|---|
| SMILES | COC1=C2C3=C([C@@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
| InChIKey | WYIWLDSPNDMZIT-MRAOVIAESA-N |
Product Overview
Aflatoxicol B (CAS 61740-00-9), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: (3S,7R,16R)-16-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one.
Chemical Property Profile of Aflatoxicol B
Property Insights of Aflatoxicol B
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxicol B. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxicol B. Following Lipinski's Rule of Five, Aflatoxicol B has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aflatoxicol B?
The CAS number of Aflatoxicol B is 61740-00-9.
What is the molecular formula of Aflatoxicol B?
The molecular formula of Aflatoxicol B is C17H14O6.
What is the molecular weight of Aflatoxicol B?
The molecular weight of Aflatoxicol B is 314.08 g/mol.
Where can I buy Aflatoxicol B?
You can request a quote for Aflatoxicol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxicol B?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxicol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.